USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 465 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 178:sc= 1.02 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.48 K(o=-0.48,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 59:sc= 0.0692 USER MOD Single : A 49 SER OG : rot -73:sc= -0.32 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -170:sc= -2.61 (180deg=-2.78) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.6) USER MOD Single : A 67 TYR OH : rot 165:sc= -0.11 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -20:sc= -0.361 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.353 2.836 5.697 1.00 0.00 N ATOM 307 CA PRO A 21 -4.290 3.868 5.242 1.00 0.00 C ATOM 308 C PRO A 21 -4.782 4.749 6.386 1.00 0.00 C ATOM 309 O PRO A 21 -4.577 4.433 7.558 1.00 0.00 O ATOM 310 CB PRO A 21 -5.449 3.061 4.653 1.00 0.00 C ATOM 311 CG PRO A 21 -5.391 1.748 5.355 1.00 0.00 C ATOM 312 CD PRO A 21 -3.935 1.485 5.623 1.00 0.00 C ATOM 0 HA PRO A 21 -3.827 4.554 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.404 3.558 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.339 2.939 3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.960 1.777 6.284 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.824 0.958 4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.790 0.934 6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.480 0.894 4.828 1.00 0.00 H new ATOM 320 N VAL A 22 -5.432 5.855 6.038 1.00 0.00 N ATOM 321 CA VAL A 22 -5.954 6.781 7.036 1.00 0.00 C ATOM 322 C VAL A 22 -7.478 6.754 7.066 1.00 0.00 C ATOM 323 O VAL A 22 -8.123 6.411 6.075 1.00 0.00 O ATOM 324 CB VAL A 22 -5.482 8.222 6.767 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.982 8.254 6.515 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.241 8.820 5.592 1.00 0.00 C ATOM 0 H VAL A 22 -5.610 6.132 5.072 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.568 6.455 8.002 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.691 8.826 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.666 9.280 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.458 7.868 7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.745 7.637 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.895 9.838 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.065 8.218 4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.308 8.833 5.816 1.00 0.00 H new ATOM 336 N SER A 23 -8.049 7.120 8.209 1.00 0.00 N ATOM 337 CA SER A 23 -9.498 7.135 8.369 1.00 0.00 C ATOM 338 C SER A 23 -10.163 7.893 7.224 1.00 0.00 C ATOM 339 O SER A 23 -9.504 8.618 6.479 1.00 0.00 O ATOM 340 CB SER A 23 -9.878 7.774 9.707 1.00 0.00 C ATOM 341 OG SER A 23 -9.955 6.799 10.733 1.00 0.00 O ATOM 0 H SER A 23 -7.530 7.410 9.038 1.00 0.00 H new ATOM 0 HA SER A 23 -9.851 6.104 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.141 8.531 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.837 8.283 9.611 1.00 0.00 H new ATOM 0 HG SER A 23 -10.197 7.232 11.578 1.00 0.00 H new ATOM 347 N ALA A 24 -11.474 7.720 7.091 1.00 0.00 N ATOM 348 CA ALA A 24 -12.230 8.388 6.039 1.00 0.00 C ATOM 349 C ALA A 24 -11.947 9.886 6.026 1.00 0.00 C ATOM 350 O ALA A 24 -11.457 10.427 5.034 1.00 0.00 O ATOM 351 CB ALA A 24 -13.720 8.132 6.215 1.00 0.00 C ATOM 0 H ALA A 24 -12.035 7.123 7.699 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.913 7.976 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.272 8.637 5.422 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.913 7.060 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.043 8.515 7.183 1.00 0.00 H new ATOM 357 N TYR A 25 -12.258 10.552 7.133 1.00 0.00 N ATOM 358 CA TYR A 25 -12.039 11.989 7.247 1.00 0.00 C ATOM 359 C TYR A 25 -10.574 12.338 7.009 1.00 0.00 C ATOM 360 O TYR A 25 -10.246 13.457 6.617 1.00 0.00 O ATOM 361 CB TYR A 25 -12.475 12.483 8.628 1.00 0.00 C ATOM 362 CG TYR A 25 -11.854 13.805 9.021 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.951 14.915 8.191 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.172 13.943 10.223 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.384 16.124 8.546 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.603 15.148 10.587 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.712 16.236 9.745 1.00 0.00 C ATOM 368 OH TYR A 25 -10.147 17.438 10.104 1.00 0.00 O ATOM 0 H TYR A 25 -12.662 10.120 7.964 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.639 12.484 6.484 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.560 12.582 8.643 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.213 11.732 9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.479 14.831 7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.085 13.094 10.884 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.467 16.977 7.888 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.076 15.238 11.525 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.712 17.347 10.978 1.00 0.00 H new ATOM 378 N ALA A 26 -9.695 11.369 7.249 1.00 0.00 N ATOM 379 CA ALA A 26 -8.264 11.572 7.058 1.00 0.00 C ATOM 380 C ALA A 26 -7.888 11.479 5.583 1.00 0.00 C ATOM 381 O ALA A 26 -7.047 12.236 5.097 1.00 0.00 O ATOM 382 CB ALA A 26 -7.475 10.556 7.871 1.00 0.00 C ATOM 0 H ALA A 26 -9.949 10.437 7.576 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.014 12.574 7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.408 10.718 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.713 10.672 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.738 9.549 7.548 1.00 0.00 H new ATOM 388 N LEU A 27 -8.516 10.546 4.875 1.00 0.00 N ATOM 389 CA LEU A 27 -8.247 10.354 3.454 1.00 0.00 C ATOM 390 C LEU A 27 -8.478 11.645 2.676 1.00 0.00 C ATOM 391 O LEU A 27 -7.912 11.845 1.601 1.00 0.00 O ATOM 392 CB LEU A 27 -9.134 9.241 2.893 1.00 0.00 C ATOM 393 CG LEU A 27 -8.461 7.882 2.694 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.453 6.755 2.934 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.865 7.782 1.298 1.00 0.00 C ATOM 0 H LEU A 27 -9.214 9.911 5.262 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.201 10.068 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.984 9.109 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.533 9.570 1.934 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.653 7.788 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.956 5.796 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.833 6.815 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.282 6.845 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.390 6.809 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.655 7.898 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.122 8.568 1.162 1.00 0.00 H new ATOM 407 N PHE A 28 -9.312 12.521 3.228 1.00 0.00 N ATOM 408 CA PHE A 28 -9.618 13.794 2.586 1.00 0.00 C ATOM 409 C PHE A 28 -8.703 14.899 3.108 1.00 0.00 C ATOM 410 O PHE A 28 -8.592 15.965 2.503 1.00 0.00 O ATOM 411 CB PHE A 28 -11.081 14.172 2.827 1.00 0.00 C ATOM 412 CG PHE A 28 -11.378 15.619 2.555 1.00 0.00 C ATOM 413 CD1 PHE A 28 -11.424 16.099 1.256 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.612 16.500 3.599 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.696 17.430 1.004 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.886 17.832 3.353 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.929 18.298 2.053 1.00 0.00 C ATOM 0 H PHE A 28 -9.788 12.372 4.118 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.450 13.682 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.717 13.553 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.342 13.944 3.860 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.245 15.425 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.580 16.141 4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.726 17.792 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.066 18.508 4.176 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.144 19.338 1.858 1.00 0.00 H new ATOM 427 N PHE A 29 -8.050 14.635 4.235 1.00 0.00 N ATOM 428 CA PHE A 29 -7.146 15.607 4.839 1.00 0.00 C ATOM 429 C PHE A 29 -5.772 15.558 4.176 1.00 0.00 C ATOM 430 O PHE A 29 -5.148 16.592 3.940 1.00 0.00 O ATOM 431 CB PHE A 29 -7.009 15.343 6.340 1.00 0.00 C ATOM 432 CG PHE A 29 -6.208 16.388 7.062 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.835 16.464 6.898 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.829 17.295 7.906 1.00 0.00 C ATOM 435 CE1 PHE A 29 -4.095 17.425 7.560 1.00 0.00 C ATOM 436 CE2 PHE A 29 -6.095 18.259 8.571 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.726 18.323 8.399 1.00 0.00 C ATOM 0 H PHE A 29 -8.130 13.757 4.748 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.568 16.601 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.003 15.288 6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.540 14.370 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.336 15.763 6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.899 17.248 8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.025 17.474 7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.591 18.961 9.224 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.150 19.074 8.919 1.00 0.00 H new ATOM 447 N ARG A 30 -5.308 14.349 3.878 1.00 0.00 N ATOM 448 CA ARG A 30 -4.009 14.164 3.244 1.00 0.00 C ATOM 449 C ARG A 30 -4.070 14.527 1.763 1.00 0.00 C ATOM 450 O ARG A 30 -3.041 14.763 1.129 1.00 0.00 O ATOM 451 CB ARG A 30 -3.539 12.717 3.406 1.00 0.00 C ATOM 452 CG ARG A 30 -4.523 11.693 2.863 1.00 0.00 C ATOM 453 CD ARG A 30 -3.934 10.291 2.880 1.00 0.00 C ATOM 454 NE ARG A 30 -2.974 10.088 1.798 1.00 0.00 N ATOM 455 CZ ARG A 30 -3.324 9.818 0.545 1.00 0.00 C ATOM 456 NH1 ARG A 30 -4.605 9.721 0.218 1.00 0.00 N ATOM 457 NH2 ARG A 30 -2.392 9.647 -0.383 1.00 0.00 N ATOM 0 H ARG A 30 -5.813 13.483 4.066 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.296 14.827 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.583 12.595 2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.365 12.516 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.436 11.713 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.802 11.959 1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.444 10.115 3.837 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.737 9.559 2.794 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.980 10.157 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.324 9.854 0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.871 9.514 -0.745 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.405 9.723 -0.135 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.662 9.440 -1.345 1.00 0.00 H new ATOM 471 N ASP A 31 -5.281 14.569 1.219 1.00 0.00 N ATOM 472 CA ASP A 31 -5.477 14.904 -0.186 1.00 0.00 C ATOM 473 C ASP A 31 -5.690 16.404 -0.363 1.00 0.00 C ATOM 474 O ASP A 31 -5.395 16.965 -1.419 1.00 0.00 O ATOM 475 CB ASP A 31 -6.671 14.136 -0.754 1.00 0.00 C ATOM 476 CG ASP A 31 -6.496 13.795 -2.221 1.00 0.00 C ATOM 477 OD1 ASP A 31 -5.338 13.628 -2.657 1.00 0.00 O ATOM 478 OD2 ASP A 31 -7.518 13.695 -2.932 1.00 0.00 O ATOM 0 H ASP A 31 -6.142 14.375 1.730 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.578 14.617 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.812 13.217 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.575 14.731 -0.628 1.00 0.00 H new ATOM 483 N THR A 32 -6.206 17.050 0.678 1.00 0.00 N ATOM 484 CA THR A 32 -6.462 18.485 0.637 1.00 0.00 C ATOM 485 C THR A 32 -5.307 19.266 1.254 1.00 0.00 C ATOM 486 O THR A 32 -4.861 20.271 0.701 1.00 0.00 O ATOM 487 CB THR A 32 -7.764 18.844 1.377 1.00 0.00 C ATOM 488 OG1 THR A 32 -8.856 18.090 0.841 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.061 20.332 1.258 1.00 0.00 C ATOM 0 H THR A 32 -6.455 16.602 1.560 1.00 0.00 H new ATOM 0 HA THR A 32 -6.563 18.759 -0.413 1.00 0.00 H new ATOM 0 HB THR A 32 -7.637 18.598 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.673 18.296 1.342 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.985 20.562 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.241 20.903 1.694 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.170 20.598 0.207 1.00 0.00 H new ATOM 497 N GLN A 33 -4.828 18.798 2.402 1.00 0.00 N ATOM 498 CA GLN A 33 -3.725 19.454 3.093 1.00 0.00 C ATOM 499 C GLN A 33 -2.724 20.030 2.097 1.00 0.00 C ATOM 500 O GLN A 33 -2.457 21.231 2.094 1.00 0.00 O ATOM 501 CB GLN A 33 -3.022 18.469 4.029 1.00 0.00 C ATOM 502 CG GLN A 33 -1.761 19.028 4.666 1.00 0.00 C ATOM 503 CD GLN A 33 -0.717 17.961 4.929 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.668 17.378 6.013 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.125 17.698 3.937 1.00 0.00 N ATOM 0 H GLN A 33 -5.187 17.967 2.873 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.136 20.273 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.715 18.171 4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.768 17.568 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.338 19.792 4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.019 19.517 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.049 18.205 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.848 16.989 4.057 1.00 0.00 H new ATOM 514 N ALA A 34 -2.172 19.164 1.253 1.00 0.00 N ATOM 515 CA ALA A 34 -1.202 19.587 0.251 1.00 0.00 C ATOM 516 C ALA A 34 -1.696 20.814 -0.509 1.00 0.00 C ATOM 517 O ALA A 34 -0.928 21.734 -0.788 1.00 0.00 O ATOM 518 CB ALA A 34 -0.910 18.448 -0.715 1.00 0.00 C ATOM 0 H ALA A 34 -2.380 18.166 1.244 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.280 19.858 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.184 18.778 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.505 17.599 -0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.831 18.150 -1.215 1.00 0.00 H new ATOM 524 N ALA A 35 -2.983 20.819 -0.841 1.00 0.00 N ATOM 525 CA ALA A 35 -3.579 21.934 -1.568 1.00 0.00 C ATOM 526 C ALA A 35 -3.643 23.184 -0.698 1.00 0.00 C ATOM 527 O ALA A 35 -3.575 24.306 -1.202 1.00 0.00 O ATOM 528 CB ALA A 35 -4.969 21.559 -2.060 1.00 0.00 C ATOM 0 H ALA A 35 -3.632 20.065 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.948 22.154 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.403 22.400 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.900 20.697 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.602 21.311 -1.208 1.00 0.00 H new ATOM 534 N ILE A 36 -3.774 22.985 0.609 1.00 0.00 N ATOM 535 CA ILE A 36 -3.847 24.097 1.548 1.00 0.00 C ATOM 536 C ILE A 36 -2.469 24.705 1.788 1.00 0.00 C ATOM 537 O ILE A 36 -2.251 25.892 1.547 1.00 0.00 O ATOM 538 CB ILE A 36 -4.443 23.657 2.898 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.677 22.780 2.673 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.796 24.872 3.743 1.00 0.00 C ATOM 541 CD1 ILE A 36 -6.763 23.460 1.869 1.00 0.00 C ATOM 0 H ILE A 36 -3.832 22.063 1.042 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.500 24.846 1.099 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.697 23.071 3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.375 21.866 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.083 22.484 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.216 24.544 4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.897 25.461 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.528 25.483 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.606 22.780 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.093 24.359 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.373 23.732 0.888 1.00 0.00 H new ATOM 553 N LYS A 37 -1.540 23.882 2.263 1.00 0.00 N ATOM 554 CA LYS A 37 -0.181 24.335 2.533 1.00 0.00 C ATOM 555 C LYS A 37 0.439 24.965 1.290 1.00 0.00 C ATOM 556 O LYS A 37 1.071 26.018 1.365 1.00 0.00 O ATOM 557 CB LYS A 37 0.683 23.166 3.010 1.00 0.00 C ATOM 558 CG LYS A 37 1.511 23.486 4.243 1.00 0.00 C ATOM 559 CD LYS A 37 2.642 24.449 3.921 1.00 0.00 C ATOM 560 CE LYS A 37 4.002 23.813 4.166 1.00 0.00 C ATOM 561 NZ LYS A 37 5.079 24.490 3.392 1.00 0.00 N ATOM 0 H LYS A 37 -1.704 22.897 2.469 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.225 25.090 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.039 22.313 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.350 22.865 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.870 23.920 5.010 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.923 22.565 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.568 24.763 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.543 25.346 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.237 23.857 5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.965 22.759 3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.990 24.027 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.868 24.427 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.132 25.490 3.673 1.00 0.00 H new ATOM 575 N GLY A 38 0.253 24.314 0.146 1.00 0.00 N ATOM 576 CA GLY A 38 0.800 24.827 -1.097 1.00 0.00 C ATOM 577 C GLY A 38 0.440 26.281 -1.333 1.00 0.00 C ATOM 578 O GLY A 38 1.272 27.066 -1.787 1.00 0.00 O ATOM 0 H GLY A 38 -0.267 23.441 0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.885 24.722 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.432 24.225 -1.928 1.00 0.00 H new ATOM 582 N GLN A 39 -0.802 26.639 -1.024 1.00 0.00 N ATOM 583 CA GLN A 39 -1.269 28.008 -1.207 1.00 0.00 C ATOM 584 C GLN A 39 -0.842 28.890 -0.038 1.00 0.00 C ATOM 585 O GLN A 39 -0.786 30.113 -0.159 1.00 0.00 O ATOM 586 CB GLN A 39 -2.791 28.035 -1.353 1.00 0.00 C ATOM 587 CG GLN A 39 -3.266 27.973 -2.795 1.00 0.00 C ATOM 588 CD GLN A 39 -4.746 28.270 -2.936 1.00 0.00 C ATOM 589 OE1 GLN A 39 -5.159 29.430 -2.959 1.00 0.00 O ATOM 590 NE2 GLN A 39 -5.554 27.221 -3.031 1.00 0.00 N ATOM 0 H GLN A 39 -1.502 26.001 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.817 28.400 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.215 27.195 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.176 28.945 -0.892 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.698 28.687 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.058 26.982 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.169 26.277 -3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.560 27.359 -3.128 1.00 0.00 H new ATOM 599 N ASN A 40 -0.543 28.260 1.093 1.00 0.00 N ATOM 600 CA ASN A 40 -0.122 28.988 2.285 1.00 0.00 C ATOM 601 C ASN A 40 0.989 28.240 3.015 1.00 0.00 C ATOM 602 O ASN A 40 0.754 27.529 3.993 1.00 0.00 O ATOM 603 CB ASN A 40 -1.311 29.202 3.223 1.00 0.00 C ATOM 604 CG ASN A 40 -2.626 29.312 2.476 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.833 30.241 1.695 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.522 28.360 2.711 1.00 0.00 N ATOM 0 H ASN A 40 -0.584 27.248 1.210 1.00 0.00 H new ATOM 0 HA ASN A 40 0.264 29.958 1.971 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.366 28.374 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.151 30.109 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.424 28.380 2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.308 27.609 3.367 1.00 0.00 H new ATOM 613 N PRO A 41 2.229 28.403 2.532 1.00 0.00 N ATOM 614 CA PRO A 41 3.402 27.753 3.124 1.00 0.00 C ATOM 615 C PRO A 41 3.754 28.327 4.492 1.00 0.00 C ATOM 616 O PRO A 41 4.549 27.749 5.232 1.00 0.00 O ATOM 617 CB PRO A 41 4.517 28.047 2.117 1.00 0.00 C ATOM 618 CG PRO A 41 4.084 29.293 1.426 1.00 0.00 C ATOM 619 CD PRO A 41 2.583 29.236 1.370 1.00 0.00 C ATOM 0 HA PRO A 41 3.235 26.690 3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.476 28.184 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.640 27.225 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.421 30.177 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.510 29.352 0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.140 30.230 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.232 28.794 0.437 1.00 0.00 H new ATOM 627 N ASN A 42 3.156 29.467 4.822 1.00 0.00 N ATOM 628 CA ASN A 42 3.407 30.119 6.102 1.00 0.00 C ATOM 629 C ASN A 42 2.726 29.365 7.240 1.00 0.00 C ATOM 630 O ASN A 42 3.150 29.444 8.392 1.00 0.00 O ATOM 631 CB ASN A 42 2.912 31.566 6.067 1.00 0.00 C ATOM 632 CG ASN A 42 4.046 32.568 6.168 1.00 0.00 C ATOM 633 OD1 ASN A 42 4.756 32.618 7.173 1.00 0.00 O ATOM 634 ND2 ASN A 42 4.221 33.371 5.126 1.00 0.00 N ATOM 0 H ASN A 42 2.494 29.958 4.221 1.00 0.00 H new ATOM 0 HA ASN A 42 4.483 30.114 6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.362 31.736 5.142 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.213 31.728 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.968 34.065 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.608 33.294 4.314 1.00 0.00 H new ATOM 641 N ALA A 43 1.667 28.633 6.907 1.00 0.00 N ATOM 642 CA ALA A 43 0.929 27.863 7.900 1.00 0.00 C ATOM 643 C ALA A 43 1.831 26.842 8.585 1.00 0.00 C ATOM 644 O ALA A 43 2.856 26.436 8.037 1.00 0.00 O ATOM 645 CB ALA A 43 -0.260 27.168 7.252 1.00 0.00 C ATOM 0 H ALA A 43 1.302 28.558 5.958 1.00 0.00 H new ATOM 0 HA ALA A 43 0.563 28.553 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.802 26.596 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.924 27.914 6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.093 26.495 6.471 1.00 0.00 H new ATOM 651 N THR A 44 1.444 26.430 9.789 1.00 0.00 N ATOM 652 CA THR A 44 2.219 25.459 10.550 1.00 0.00 C ATOM 653 C THR A 44 1.321 24.371 11.129 1.00 0.00 C ATOM 654 O THR A 44 1.102 24.312 12.339 1.00 0.00 O ATOM 655 CB THR A 44 2.994 26.133 11.697 1.00 0.00 C ATOM 656 OG1 THR A 44 2.128 27.012 12.424 1.00 0.00 O ATOM 657 CG2 THR A 44 4.183 26.915 11.161 1.00 0.00 C ATOM 0 H THR A 44 0.598 26.754 10.257 1.00 0.00 H new ATOM 0 HA THR A 44 2.930 25.009 9.857 1.00 0.00 H new ATOM 0 HB THR A 44 3.363 25.353 12.363 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.375 26.502 12.789 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.715 27.382 11.990 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.856 26.239 10.634 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.832 27.686 10.475 1.00 0.00 H new ATOM 665 N PHE A 45 0.803 23.512 10.257 1.00 0.00 N ATOM 666 CA PHE A 45 -0.072 22.426 10.683 1.00 0.00 C ATOM 667 C PHE A 45 -1.366 22.972 11.280 1.00 0.00 C ATOM 668 O PHE A 45 -2.424 22.911 10.657 1.00 0.00 O ATOM 669 CB PHE A 45 0.641 21.539 11.705 1.00 0.00 C ATOM 670 CG PHE A 45 0.933 20.156 11.198 1.00 0.00 C ATOM 671 CD1 PHE A 45 -0.098 19.299 10.849 1.00 0.00 C ATOM 672 CD2 PHE A 45 2.240 19.712 11.071 1.00 0.00 C ATOM 673 CE1 PHE A 45 0.168 18.025 10.382 1.00 0.00 C ATOM 674 CE2 PHE A 45 2.512 18.440 10.604 1.00 0.00 C ATOM 675 CZ PHE A 45 1.475 17.595 10.261 1.00 0.00 C ATOM 0 H PHE A 45 0.974 23.547 9.252 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.321 21.829 9.806 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.577 22.015 11.997 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.027 21.466 12.602 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.122 19.630 10.943 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.055 20.368 11.340 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.645 17.367 10.112 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.535 18.107 10.507 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.686 16.600 9.899 1.00 0.00 H new ATOM 685 N GLY A 46 -1.271 23.505 12.495 1.00 0.00 N ATOM 686 CA GLY A 46 -2.440 24.053 13.157 1.00 0.00 C ATOM 687 C GLY A 46 -3.341 24.816 12.206 1.00 0.00 C ATOM 688 O GLY A 46 -4.565 24.741 12.308 1.00 0.00 O ATOM 0 H GLY A 46 -0.406 23.567 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.006 23.243 13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.121 24.716 13.961 1.00 0.00 H new ATOM 692 N GLU A 47 -2.734 25.552 11.281 1.00 0.00 N ATOM 693 CA GLU A 47 -3.492 26.333 10.310 1.00 0.00 C ATOM 694 C GLU A 47 -4.046 25.438 9.205 1.00 0.00 C ATOM 695 O GLU A 47 -5.259 25.324 9.033 1.00 0.00 O ATOM 696 CB GLU A 47 -2.610 27.426 9.702 1.00 0.00 C ATOM 697 CG GLU A 47 -2.902 28.815 10.243 1.00 0.00 C ATOM 698 CD GLU A 47 -3.825 29.611 9.341 1.00 0.00 C ATOM 699 OE1 GLU A 47 -4.978 29.176 9.138 1.00 0.00 O ATOM 700 OE2 GLU A 47 -3.394 30.669 8.837 1.00 0.00 O ATOM 0 H GLU A 47 -1.721 25.624 11.183 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.329 26.799 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.564 27.184 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.746 27.431 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.353 28.728 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.964 29.357 10.366 1.00 0.00 H new ATOM 707 N VAL A 48 -3.147 24.806 8.457 1.00 0.00 N ATOM 708 CA VAL A 48 -3.544 23.920 7.369 1.00 0.00 C ATOM 709 C VAL A 48 -4.703 23.022 7.787 1.00 0.00 C ATOM 710 O VAL A 48 -5.607 22.750 6.997 1.00 0.00 O ATOM 711 CB VAL A 48 -2.369 23.041 6.904 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.876 21.858 6.092 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.374 23.863 6.098 1.00 0.00 C ATOM 0 H VAL A 48 -2.139 24.891 8.585 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.861 24.556 6.542 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.857 22.655 7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.031 21.248 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.547 21.256 6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.414 22.221 5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.550 23.225 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.871 24.280 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.987 24.673 6.716 1.00 0.00 H new ATOM 723 N SER A 49 -4.670 22.565 9.034 1.00 0.00 N ATOM 724 CA SER A 49 -5.716 21.693 9.557 1.00 0.00 C ATOM 725 C SER A 49 -7.015 22.467 9.763 1.00 0.00 C ATOM 726 O SER A 49 -8.040 22.158 9.155 1.00 0.00 O ATOM 727 CB SER A 49 -5.271 21.062 10.877 1.00 0.00 C ATOM 728 OG SER A 49 -5.419 21.971 11.953 1.00 0.00 O ATOM 0 H SER A 49 -3.930 22.784 9.702 1.00 0.00 H new ATOM 0 HA SER A 49 -5.895 20.903 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.859 20.165 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.229 20.750 10.801 1.00 0.00 H new ATOM 0 HG SER A 49 -4.727 22.663 11.894 1.00 0.00 H new ATOM 734 N LYS A 50 -6.964 23.477 10.626 1.00 0.00 N ATOM 735 CA LYS A 50 -8.134 24.298 10.913 1.00 0.00 C ATOM 736 C LYS A 50 -8.918 24.592 9.639 1.00 0.00 C ATOM 737 O LYS A 50 -10.122 24.847 9.685 1.00 0.00 O ATOM 738 CB LYS A 50 -7.711 25.609 11.579 1.00 0.00 C ATOM 739 CG LYS A 50 -8.624 26.036 12.716 1.00 0.00 C ATOM 740 CD LYS A 50 -9.088 27.473 12.549 1.00 0.00 C ATOM 741 CE LYS A 50 -10.202 27.816 13.526 1.00 0.00 C ATOM 742 NZ LYS A 50 -9.956 29.114 14.214 1.00 0.00 N ATOM 0 H LYS A 50 -6.124 23.746 11.139 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.778 23.743 11.595 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.695 25.502 11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.688 26.398 10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.490 25.375 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.098 25.930 13.665 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.247 28.148 12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.438 27.627 11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.151 27.862 12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.291 27.023 14.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.737 29.312 14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.063 29.062 14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.896 29.875 13.508 1.00 0.00 H new ATOM 756 N ILE A 51 -8.229 24.555 8.503 1.00 0.00 N ATOM 757 CA ILE A 51 -8.863 24.816 7.217 1.00 0.00 C ATOM 758 C ILE A 51 -9.565 23.570 6.688 1.00 0.00 C ATOM 759 O ILE A 51 -10.743 23.612 6.332 1.00 0.00 O ATOM 760 CB ILE A 51 -7.839 25.297 6.172 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.156 26.580 6.649 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.517 25.519 4.828 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.862 26.881 5.925 1.00 0.00 C ATOM 0 H ILE A 51 -7.232 24.347 8.447 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.599 25.603 7.382 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.078 24.526 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.841 27.418 6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.955 26.499 7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.780 25.859 4.100 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.961 24.584 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.297 26.273 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.433 27.804 6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.160 26.062 6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.059 26.994 4.859 1.00 0.00 H new ATOM 775 N VAL A 52 -8.835 22.461 6.640 1.00 0.00 N ATOM 776 CA VAL A 52 -9.388 21.201 6.157 1.00 0.00 C ATOM 777 C VAL A 52 -10.606 20.786 6.975 1.00 0.00 C ATOM 778 O VAL A 52 -11.619 20.358 6.424 1.00 0.00 O ATOM 779 CB VAL A 52 -8.341 20.072 6.206 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.990 18.728 5.915 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.211 20.351 5.227 1.00 0.00 C ATOM 0 H VAL A 52 -7.858 22.409 6.930 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.687 21.363 5.122 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.920 20.034 7.211 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.235 17.943 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.761 18.527 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.441 18.749 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.480 19.543 5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.613 20.417 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.728 21.293 5.487 1.00 0.00 H new ATOM 791 N ALA A 53 -10.498 20.917 8.293 1.00 0.00 N ATOM 792 CA ALA A 53 -11.592 20.558 9.188 1.00 0.00 C ATOM 793 C ALA A 53 -12.895 21.222 8.756 1.00 0.00 C ATOM 794 O ALA A 53 -13.949 20.587 8.736 1.00 0.00 O ATOM 795 CB ALA A 53 -11.250 20.943 10.620 1.00 0.00 C ATOM 0 H ALA A 53 -9.665 21.269 8.765 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.731 19.478 9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.075 20.669 11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.348 20.417 10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.082 22.018 10.677 1.00 0.00 H new ATOM 801 N SER A 54 -12.815 22.503 8.411 1.00 0.00 N ATOM 802 CA SER A 54 -13.990 23.254 7.984 1.00 0.00 C ATOM 803 C SER A 54 -14.474 22.775 6.619 1.00 0.00 C ATOM 804 O SER A 54 -15.631 22.979 6.252 1.00 0.00 O ATOM 805 CB SER A 54 -13.673 24.750 7.929 1.00 0.00 C ATOM 806 OG SER A 54 -14.283 25.441 9.005 1.00 0.00 O ATOM 0 H SER A 54 -11.949 23.042 8.419 1.00 0.00 H new ATOM 0 HA SER A 54 -14.783 23.084 8.712 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.594 24.898 7.963 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.021 25.164 6.983 1.00 0.00 H new ATOM 0 HG SER A 54 -14.064 26.394 8.948 1.00 0.00 H new ATOM 812 N MET A 55 -13.580 22.136 5.872 1.00 0.00 N ATOM 813 CA MET A 55 -13.916 21.626 4.547 1.00 0.00 C ATOM 814 C MET A 55 -14.718 20.333 4.650 1.00 0.00 C ATOM 815 O MET A 55 -15.815 20.227 4.102 1.00 0.00 O ATOM 816 CB MET A 55 -12.644 21.387 3.732 1.00 0.00 C ATOM 817 CG MET A 55 -11.831 22.649 3.489 1.00 0.00 C ATOM 818 SD MET A 55 -11.924 23.216 1.780 1.00 0.00 S ATOM 819 CE MET A 55 -10.576 22.294 1.044 1.00 0.00 C ATOM 0 H MET A 55 -12.618 21.959 6.161 1.00 0.00 H new ATOM 0 HA MET A 55 -14.528 22.373 4.042 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.022 20.658 4.251 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.915 20.949 2.771 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.187 23.439 4.150 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.789 22.461 3.749 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.390 22.664 0.036 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.677 22.418 1.648 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.840 21.237 0.999 1.00 0.00 H new ATOM 829 N TRP A 56 -14.164 19.353 5.355 1.00 0.00 N ATOM 830 CA TRP A 56 -14.829 18.066 5.528 1.00 0.00 C ATOM 831 C TRP A 56 -16.196 18.244 6.180 1.00 0.00 C ATOM 832 O TRP A 56 -17.179 17.635 5.757 1.00 0.00 O ATOM 833 CB TRP A 56 -13.964 17.132 6.376 1.00 0.00 C ATOM 834 CG TRP A 56 -14.692 15.908 6.843 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.465 15.791 7.963 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.715 14.628 6.202 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.966 14.515 8.057 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.521 13.782 6.989 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.134 14.114 5.039 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.759 12.453 6.649 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.370 12.794 4.704 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.177 11.976 5.506 1.00 0.00 C ATOM 0 H TRP A 56 -13.257 19.425 5.816 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.972 17.623 4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -13.093 16.828 5.795 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.594 17.679 7.243 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.655 16.585 8.671 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.571 14.170 8.802 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.512 14.737 4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.381 11.821 7.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.925 12.386 3.809 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.343 10.949 5.216 1.00 0.00 H new ATOM 853 N ASP A 57 -16.252 19.080 7.210 1.00 0.00 N ATOM 854 CA ASP A 57 -17.500 19.339 7.919 1.00 0.00 C ATOM 855 C ASP A 57 -18.583 19.816 6.956 1.00 0.00 C ATOM 856 O ASP A 57 -19.768 19.805 7.285 1.00 0.00 O ATOM 857 CB ASP A 57 -17.281 20.380 9.017 1.00 0.00 C ATOM 858 CG ASP A 57 -18.043 20.053 10.286 1.00 0.00 C ATOM 859 OD1 ASP A 57 -17.565 19.199 11.061 1.00 0.00 O ATOM 860 OD2 ASP A 57 -19.119 20.650 10.503 1.00 0.00 O ATOM 0 H ASP A 57 -15.447 19.591 7.573 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.831 18.406 8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.217 20.447 9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.592 21.359 8.652 1.00 0.00 H new ATOM 865 N GLY A 58 -18.166 20.236 5.765 1.00 0.00 N ATOM 866 CA GLY A 58 -19.112 20.712 4.774 1.00 0.00 C ATOM 867 C GLY A 58 -18.985 19.981 3.453 1.00 0.00 C ATOM 868 O GLY A 58 -19.184 20.568 2.388 1.00 0.00 O ATOM 0 H GLY A 58 -17.190 20.255 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -20.126 20.591 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.957 21.779 4.612 1.00 0.00 H new ATOM 872 N LEU A 59 -18.652 18.697 3.519 1.00 0.00 N ATOM 873 CA LEU A 59 -18.497 17.883 2.318 1.00 0.00 C ATOM 874 C LEU A 59 -19.811 17.202 1.948 1.00 0.00 C ATOM 875 O LEU A 59 -20.645 16.929 2.810 1.00 0.00 O ATOM 876 CB LEU A 59 -17.405 16.833 2.527 1.00 0.00 C ATOM 877 CG LEU A 59 -16.305 16.788 1.466 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.167 17.726 1.838 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.790 15.367 1.291 1.00 0.00 C ATOM 0 H LEU A 59 -18.484 18.197 4.392 1.00 0.00 H new ATOM 0 HA LEU A 59 -18.207 18.540 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.940 17.010 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.877 15.852 2.574 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.728 17.119 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.393 17.681 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.545 18.746 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.746 17.425 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.008 15.354 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.384 15.008 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.609 14.719 0.979 1.00 0.00 H new ATOM 891 N GLY A 60 -19.987 16.927 0.659 1.00 0.00 N ATOM 892 CA GLY A 60 -21.200 16.277 0.198 1.00 0.00 C ATOM 893 C GLY A 60 -21.332 14.860 0.718 1.00 0.00 C ATOM 894 O GLY A 60 -20.340 14.140 0.833 1.00 0.00 O ATOM 0 H GLY A 60 -19.311 17.143 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -22.064 16.860 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.209 16.263 -0.892 1.00 0.00 H new ATOM 898 N GLU A 61 -22.559 14.459 1.034 1.00 0.00 N ATOM 899 CA GLU A 61 -22.816 13.118 1.547 1.00 0.00 C ATOM 900 C GLU A 61 -22.220 12.059 0.623 1.00 0.00 C ATOM 901 O GLU A 61 -21.795 10.996 1.074 1.00 0.00 O ATOM 902 CB GLU A 61 -24.320 12.886 1.703 1.00 0.00 C ATOM 903 CG GLU A 61 -24.803 12.971 3.141 1.00 0.00 C ATOM 904 CD GLU A 61 -26.311 12.865 3.257 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.821 11.728 3.334 1.00 0.00 O ATOM 906 OE2 GLU A 61 -26.981 13.919 3.271 1.00 0.00 O ATOM 0 H GLU A 61 -23.390 15.043 0.944 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.340 13.033 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.857 13.622 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.571 11.904 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.341 12.174 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.474 13.915 3.576 1.00 0.00 H new ATOM 913 N GLU A 62 -22.194 12.358 -0.672 1.00 0.00 N ATOM 914 CA GLU A 62 -21.652 11.432 -1.659 1.00 0.00 C ATOM 915 C GLU A 62 -20.130 11.368 -1.568 1.00 0.00 C ATOM 916 O GLU A 62 -19.512 10.400 -2.009 1.00 0.00 O ATOM 917 CB GLU A 62 -22.073 11.850 -3.069 1.00 0.00 C ATOM 918 CG GLU A 62 -21.682 10.850 -4.143 1.00 0.00 C ATOM 919 CD GLU A 62 -22.883 10.196 -4.797 1.00 0.00 C ATOM 920 OE1 GLU A 62 -23.961 10.172 -4.167 1.00 0.00 O ATOM 921 OE2 GLU A 62 -22.746 9.708 -5.938 1.00 0.00 O ATOM 0 H GLU A 62 -22.542 13.234 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.053 10.441 -1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.154 11.989 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.623 12.815 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.088 11.355 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.048 10.080 -3.703 1.00 0.00 H new ATOM 928 N GLN A 63 -19.534 12.408 -0.993 1.00 0.00 N ATOM 929 CA GLN A 63 -18.085 12.471 -0.845 1.00 0.00 C ATOM 930 C GLN A 63 -17.648 11.881 0.492 1.00 0.00 C ATOM 931 O GLN A 63 -16.583 11.272 0.595 1.00 0.00 O ATOM 932 CB GLN A 63 -17.602 13.918 -0.960 1.00 0.00 C ATOM 933 CG GLN A 63 -17.832 14.529 -2.332 1.00 0.00 C ATOM 934 CD GLN A 63 -17.192 15.896 -2.477 1.00 0.00 C ATOM 935 OE1 GLN A 63 -15.968 16.027 -2.452 1.00 0.00 O ATOM 936 NE2 GLN A 63 -18.020 16.924 -2.630 1.00 0.00 N ATOM 0 H GLN A 63 -20.032 13.217 -0.622 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.637 11.881 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.113 14.523 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.538 13.956 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.431 13.862 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.904 14.613 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -19.028 16.769 -2.645 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.648 17.868 -2.733 1.00 0.00 H new ATOM 945 N LYS A 64 -18.476 12.065 1.514 1.00 0.00 N ATOM 946 CA LYS A 64 -18.177 11.551 2.845 1.00 0.00 C ATOM 947 C LYS A 64 -18.274 10.029 2.874 1.00 0.00 C ATOM 948 O LYS A 64 -17.364 9.350 3.349 1.00 0.00 O ATOM 949 CB LYS A 64 -19.136 12.154 3.874 1.00 0.00 C ATOM 950 CG LYS A 64 -18.695 13.511 4.394 1.00 0.00 C ATOM 951 CD LYS A 64 -19.427 13.883 5.673 1.00 0.00 C ATOM 952 CE LYS A 64 -18.829 15.124 6.317 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.567 15.521 7.548 1.00 0.00 N ATOM 0 H LYS A 64 -19.361 12.567 1.446 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.156 11.837 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.124 12.250 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.233 11.466 4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.621 13.499 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.879 14.270 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.480 14.058 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.382 13.050 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.784 14.937 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.845 15.947 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.128 16.371 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.558 15.724 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.530 14.746 8.240 1.00 0.00 H new ATOM 967 N GLN A 65 -19.381 9.501 2.363 1.00 0.00 N ATOM 968 CA GLN A 65 -19.594 8.059 2.330 1.00 0.00 C ATOM 969 C GLN A 65 -18.472 7.359 1.571 1.00 0.00 C ATOM 970 O GLN A 65 -17.909 6.372 2.044 1.00 0.00 O ATOM 971 CB GLN A 65 -20.943 7.736 1.684 1.00 0.00 C ATOM 972 CG GLN A 65 -21.156 8.423 0.345 1.00 0.00 C ATOM 973 CD GLN A 65 -20.950 7.488 -0.830 1.00 0.00 C ATOM 974 OE1 GLN A 65 -21.636 6.473 -0.958 1.00 0.00 O ATOM 975 NE2 GLN A 65 -20.002 7.825 -1.697 1.00 0.00 N ATOM 0 H GLN A 65 -20.144 10.050 1.966 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.594 7.694 3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.022 6.658 1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.742 8.029 2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -22.166 8.831 0.307 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.469 9.265 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -19.457 8.675 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -19.819 7.234 -2.508 1.00 0.00 H new ATOM 984 N VAL A 66 -18.153 7.877 0.389 1.00 0.00 N ATOM 985 CA VAL A 66 -17.097 7.302 -0.437 1.00 0.00 C ATOM 986 C VAL A 66 -15.776 7.244 0.321 1.00 0.00 C ATOM 987 O VAL A 66 -15.053 6.250 0.255 1.00 0.00 O ATOM 988 CB VAL A 66 -16.897 8.109 -1.734 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.647 9.575 -1.418 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.753 7.528 -2.551 1.00 0.00 C ATOM 0 H VAL A 66 -18.610 8.693 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.411 6.290 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.808 8.041 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.508 10.129 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.502 9.982 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.752 9.667 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.625 8.110 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.834 7.564 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.979 6.493 -2.809 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.467 8.316 1.042 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.231 8.389 1.813 1.00 0.00 C ATOM 1002 C TYR A 67 -14.196 7.309 2.889 1.00 0.00 C ATOM 1003 O TYR A 67 -13.127 6.904 3.346 1.00 0.00 O ATOM 1004 CB TYR A 67 -14.087 9.770 2.455 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.388 10.778 1.571 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.141 10.504 1.022 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -13.973 12.006 1.287 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.499 11.422 0.214 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.338 12.930 0.480 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.101 12.633 -0.054 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.465 13.552 -0.858 1.00 0.00 O ATOM 0 H TYR A 67 -16.055 9.147 1.109 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.397 8.224 1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -15.077 10.148 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.533 9.672 3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.666 9.557 1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.941 12.242 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.531 11.192 -0.206 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.807 13.879 0.268 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.106 14.237 -1.142 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.375 6.845 3.291 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.482 5.810 4.313 1.00 0.00 C ATOM 1023 C LYS A 68 -15.379 4.420 3.692 1.00 0.00 C ATOM 1024 O LYS A 68 -14.763 3.519 4.261 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.806 5.946 5.069 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.009 7.314 5.698 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.040 7.231 7.214 1.00 0.00 C ATOM 1028 CE LYS A 68 -17.977 8.270 7.810 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.297 7.683 8.173 1.00 0.00 N ATOM 0 H LYS A 68 -16.270 7.170 2.924 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.656 5.938 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.629 5.745 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.849 5.186 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.206 7.982 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.942 7.747 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.359 6.234 7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.034 7.378 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.518 8.707 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.124 9.079 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.907 8.423 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.747 7.288 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.160 6.928 8.875 1.00 0.00 H new ATOM 1043 N LYS A 69 -15.986 4.254 2.522 1.00 0.00 N ATOM 1044 CA LYS A 69 -15.961 2.975 1.822 1.00 0.00 C ATOM 1045 C LYS A 69 -14.556 2.655 1.323 1.00 0.00 C ATOM 1046 O LYS A 69 -14.255 1.514 0.973 1.00 0.00 O ATOM 1047 CB LYS A 69 -16.940 2.995 0.645 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.367 2.654 1.035 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.132 3.888 1.486 1.00 0.00 C ATOM 1050 CE LYS A 69 -20.635 3.675 1.396 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.275 3.664 2.741 1.00 0.00 N ATOM 0 H LYS A 69 -16.501 4.989 2.038 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.263 2.199 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.924 3.984 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.600 2.288 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -18.878 2.198 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.360 1.916 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.859 4.132 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.847 4.740 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -21.078 4.465 0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -20.838 2.732 0.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.299 3.516 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.870 2.894 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.103 4.574 3.215 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.698 3.669 1.295 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.323 3.496 0.842 1.00 0.00 C ATOM 1067 C LYS A 70 -11.401 3.172 2.013 1.00 0.00 C ATOM 1068 O LYS A 70 -10.355 2.547 1.839 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.836 4.760 0.130 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.457 4.964 -1.241 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.539 5.757 -2.157 1.00 0.00 C ATOM 1072 CE LYS A 70 -12.328 6.676 -3.076 1.00 0.00 C ATOM 1073 NZ LYS A 70 -12.126 6.334 -4.511 1.00 0.00 N ATOM 0 H LYS A 70 -13.931 4.620 1.581 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.300 2.661 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.059 5.626 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.752 4.713 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.673 3.995 -1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.408 5.486 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.846 6.348 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.938 5.071 -2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.388 6.609 -2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.026 7.709 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.681 6.984 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.118 6.422 -4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.438 5.357 -4.682 1.00 0.00 H new ATOM 1087 N THR A 71 -11.796 3.601 3.208 1.00 0.00 N ATOM 1088 CA THR A 71 -11.006 3.357 4.408 1.00 0.00 C ATOM 1089 C THR A 71 -10.980 1.873 4.756 1.00 0.00 C ATOM 1090 O THR A 71 -9.917 1.254 4.793 1.00 0.00 O ATOM 1091 CB THR A 71 -11.554 4.146 5.612 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.008 5.435 5.187 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.487 4.306 6.684 1.00 0.00 C ATOM 0 H THR A 71 -12.659 4.120 3.370 1.00 0.00 H new ATOM 0 HA THR A 71 -9.992 3.695 4.193 1.00 0.00 H new ATOM 0 HB THR A 71 -12.390 3.588 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.594 5.661 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.897 4.866 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.165 3.323 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.634 4.844 6.271 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.156 1.309 5.010 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.267 -0.104 5.356 1.00 0.00 C ATOM 1103 C GLU A 72 -11.724 -0.983 4.232 1.00 0.00 C ATOM 1104 O GLU A 72 -11.144 -2.039 4.482 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.724 -0.469 5.644 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.613 -0.444 4.412 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.946 -1.130 4.641 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -16.891 -0.454 5.098 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -16.044 -2.344 4.363 1.00 0.00 O ATOM 0 H GLU A 72 -13.045 1.808 4.983 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.672 -0.280 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.760 -1.464 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.124 0.224 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.787 0.590 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.096 -0.930 3.585 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.917 -0.538 2.995 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.447 -1.282 1.834 1.00 0.00 C ATOM 1118 C ALA A 73 -9.934 -1.165 1.683 1.00 0.00 C ATOM 1119 O ALA A 73 -9.288 -2.040 1.107 1.00 0.00 O ATOM 1120 CB ALA A 73 -12.145 -0.791 0.574 1.00 0.00 C ATOM 0 H ALA A 73 -12.396 0.334 2.771 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.691 -2.334 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.784 -1.356 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.221 -0.933 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.931 0.268 0.428 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.375 -0.077 2.203 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.937 0.154 2.127 1.00 0.00 C ATOM 1128 C ALA A 74 -7.227 -0.399 3.358 1.00 0.00 C ATOM 1129 O ALA A 74 -6.042 -0.730 3.307 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.649 1.639 1.971 1.00 0.00 C ATOM 0 H ALA A 74 -9.896 0.658 2.681 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.555 -0.372 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.572 1.797 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.117 2.006 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.051 2.180 2.828 1.00 0.00 H new ATOM 1136 N LYS A 75 -7.957 -0.495 4.463 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.398 -1.008 5.708 1.00 0.00 C ATOM 1138 C LYS A 75 -7.302 -2.530 5.676 1.00 0.00 C ATOM 1139 O LYS A 75 -6.215 -3.097 5.780 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.254 -0.565 6.897 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.130 -1.474 8.108 1.00 0.00 C ATOM 1142 CD LYS A 75 -7.945 -0.675 9.387 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.147 0.213 9.668 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.753 -0.077 10.997 1.00 0.00 N ATOM 0 H LYS A 75 -8.939 -0.224 4.522 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.393 -0.601 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.968 0.447 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.298 -0.526 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.022 -2.095 8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.284 -2.148 7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.791 -1.356 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.048 -0.061 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.843 1.259 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.895 0.069 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.569 0.549 11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.067 -1.068 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.047 0.085 11.743 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.448 -3.187 5.529 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.495 -4.643 5.480 1.00 0.00 C ATOM 1160 C LYS A 76 -7.522 -5.184 4.436 1.00 0.00 C ATOM 1161 O LYS A 76 -6.865 -6.200 4.656 1.00 0.00 O ATOM 1162 CB LYS A 76 -9.915 -5.118 5.163 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.782 -5.307 6.396 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.209 -4.850 6.150 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.139 -6.029 5.909 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.051 -5.790 4.756 1.00 0.00 N ATOM 0 H LYS A 76 -9.357 -2.733 5.442 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.201 -5.024 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.392 -4.395 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.861 -6.061 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.780 -6.358 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.358 -4.746 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.561 -4.277 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.235 -4.183 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.548 -6.926 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.729 -6.215 6.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.668 -6.616 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.633 -4.949 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.489 -5.638 3.894 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.436 -4.496 3.302 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.543 -4.908 2.225 1.00 0.00 C ATOM 1182 C GLU A 77 -5.083 -4.720 2.627 1.00 0.00 C ATOM 1183 O GLU A 77 -4.253 -5.607 2.428 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.840 -4.112 0.953 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.969 -2.878 0.790 1.00 0.00 C ATOM 1186 CD GLU A 77 -6.255 -2.127 -0.496 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -7.425 -1.752 -0.716 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -5.308 -1.914 -1.281 1.00 0.00 O ATOM 0 H GLU A 77 -7.973 -3.652 3.105 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.715 -5.967 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.702 -4.761 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.887 -3.809 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.127 -2.212 1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.920 -3.173 0.808 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.777 -3.558 3.194 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.418 -3.251 3.622 1.00 0.00 C ATOM 1197 C TYR A 78 -2.860 -4.364 4.504 1.00 0.00 C ATOM 1198 O TYR A 78 -1.677 -4.699 4.428 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.387 -1.922 4.379 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.126 -1.714 5.186 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -0.877 -1.722 4.576 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.183 -1.508 6.559 1.00 0.00 C ATOM 1203 CE1 TYR A 78 0.278 -1.533 5.310 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.033 -1.317 7.301 1.00 0.00 C ATOM 1205 CZ TYR A 78 0.195 -1.331 6.672 1.00 0.00 C ATOM 1206 OH TYR A 78 1.343 -1.141 7.407 1.00 0.00 O ATOM 0 H TYR A 78 -5.452 -2.813 3.368 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.794 -3.170 2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.491 -1.105 3.665 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.247 -1.873 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.808 -1.879 3.510 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.142 -1.497 7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.240 -1.543 4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.095 -1.158 8.367 1.00 0.00 H new ATOM 0 HH TYR A 78 1.110 -1.012 8.350 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.719 -4.934 5.341 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.314 -6.010 6.238 1.00 0.00 C ATOM 1218 C LEU A 79 -3.059 -7.299 5.462 1.00 0.00 C ATOM 1219 O LEU A 79 -2.015 -7.933 5.617 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.389 -6.246 7.301 1.00 0.00 C ATOM 1221 CG LEU A 79 -4.883 -5.004 8.043 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -6.170 -5.307 8.795 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -3.814 -4.492 8.997 1.00 0.00 C ATOM 0 H LEU A 79 -4.701 -4.669 5.417 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.387 -5.712 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.245 -6.724 6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.998 -6.951 8.034 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.090 -4.225 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.506 -4.411 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.937 -5.625 8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.990 -6.102 9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.183 -3.608 9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.575 -5.267 9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.917 -4.234 8.434 1.00 0.00 H new